3-(4-bromanylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propionamide Formula: C19H14BrF3N4O4 MolecularWeight: 499.23807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)Br)C(F)(F)F

InChI

InChI=1S/C19H14BrF3N4O4/c20-13-10-24-26(11-13)5-4-18(28)25-14-7-15(27(29)30)9-17(8-14)31-16-3-1-2-12(6-16)19(21,22)23/h1-3,6-11H,4-5H2,(H,25,28)